dimethyl 5-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(4-pyridylmethyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(4-pyridylmethyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC=NC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O5/c1-29-19(26)16-11-17(20(27)30-2)13-18(12-16)23-21(28)25-9-7-24(8-10-25)14-15-3-5-22-6-4-15/h3-6,11-13H,7-10,14H2,1-2H3,(H,23,28)